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CS-W001157 4
Total: USD 88.00

Methyl 2-(benzyloxy)-5-bromobenzoate

  • CAS No. 860000-78-8

  • Cat. No. CS-0209093
  • Purity95+%
  • MDL No.MFCD11112970

*For research and further manufacturing use only, not for direct human use.

Methyl 2-(benzyloxy)-5-bromobenzoate|CS-0209093

Structure of 860000-78-8

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General Information

  • CAS No. 860000-78-8
  • Cat. No. CS-0209093
  • Purity 95+%
  • MDL No. MFCD11112970
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃BrO₃
  • Molecular Weight 321.17
  • Synonym(s) methyl 5-bromo-2-phenylmethoxybenzoate
  • SMILES COC(=O)C1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

Synthesis

  • Route1

    References

    • ELI LILLY AND COMPANY Patent: WO2005/73205 A1, 2005 ; Location in patent: Page/Page column 68 ; WO 2005/073205 A1
  • Route2

    References

    • Xia, Zebin; Correa, Ricardo G.; Das, Jayanta K.; Farhana, Lulu; Castro, David J.; Yu, Jinghua; Oshima, Robert G.; Fontana, Joseph A.; Reed, John C.; Dawson, Marcia I. Journal of Medicinal Chemistry, 2012 , vol. 55, # 1 p. 233 - 249

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   3.8147
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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